SCHEMBL15636129

SCHEMBL15636129

N#Cc1cccc([C@H](CC(=O)O)NC(=O)c2cc(O)n(-c3ccc(Cl)cc3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGLN2 Q96KS0 5/20 0.46
▸ EGLN1 Q9GZT9 5/20 0.46
▸ CYP26A1 O43174 2/20 0.46
▸ CTSA P10619 7/20 0.44
▸ CNR1 P21554 4/20 0.44
▸ CNR2 P34972 3/20 0.44
▸ SUCNR1 Q9BXA5 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15636441 0.93 EGLN2 (0.49) EGLN2EGLN1CYP26A1CTSA
SCHEMBL15636502 0.92 CYP26A1 (0.48) EGLN2EGLN1CYP26A1CTSA
SCHEMBL15637118 0.91 APLNR (0.45) EGLN2EGLN1CYP26A1CTSA
SCHEMBL15636670 0.90 EGLN2 (0.49) EGLN2EGLN1CYP26A1CTSA
SCHEMBL15636828 0.89 CTSA (0.55) EGLN2EGLN1CYP26A1CTSASUCNR1
SCHEMBL15636372 0.87 CTSA (0.47) EGLN2EGLN1CYP26A1CTSA
SCHEMBL15636384 0.87 CTSA (0.53) EGLN2EGLN1CYP26A1CTSA
SCHEMBL15636524 0.87 CTSA (0.55) CYP26A1CTSASUCNR1
SCHEMBL15637241 0.87 CTSA (0.55) CYP26A1CTSASUCNR1
SCHEMBL15636722 0.86 CTSA (0.48) EGLN2EGLN1CYP26A1CTSA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014053533-A1 USE OF SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AS PHARMACEUTICALS FOR PREVENTION/TREATMENT OF ATRIAL FIBRILLATION SANOFI (FR) 2014-04-10 — — WO disclosed
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